(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide

C15H17Cl2N3O — CID 108825527

IUPAC(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-2-3-4-7-19-10-11(9-18)15(21)20-14-8-12(16)5-6-13(14)17/h5-6,8,10,19H,2-4,7H2,1H3,(H,20,21)/b11-10-
InChIKeyFMMQWDNUEIVCIR-KHPPLWFESA-N
MW326.23 g/mol
LogP4.12
Rot. Bonds7

About (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide

(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide (PubChem CID 108825527) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide
PubChem CID108825527
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide
SMILESCCCCCN/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-2-3-4-7-19-10-11(9-18)15(21)20-14-8-12(16)5-6-13(14)17/h5-6,8,10,19H,2-4,7H2,1H3,(H,20,21)/b11-10-
InChIKeyFMMQWDNUEIVCIR-KHPPLWFESA-N
XLogP4.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(3-methoxypropylamino)prop-2-enamide
CID 108825426
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide
CID 108825474
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[2-(4-hydroxyphenyl)ethylamino]prop-2-enamide
CID 108825406
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(propylamino)prop-2-enamide
CID 108853620
4-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]butanoic acid
CID 108828797
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(dipropylamino)prop-2-enamide
CID 108825593
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-propylprop-2-enamide
CID 108820177
(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(pentylamino)prop-2-enamide
CID 108825900
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
CID 108825437
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pentylamino)prop-2-enamide
CID 108818603
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-methylanilino)prop-2-enamide
CID 108825385
(Z)-3-(2-chloroethylamino)-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108827711

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide (CID 108825527) is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide is CCCCCN/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide?
The InChIKey is FMMQWDNUEIVCIR-KHPPLWFESA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-2-3-4-7-19-10-11(9-18)15(21)20-14-8-12(16)5-6-13(14)17/h5-6,8,10,19H,2-4,7H2,1H3,(H,20,21)/b11-10-.
What are the key properties of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide?
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide has a molecular weight of 326.23 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide is sourced from PubChem (CID 108825527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).